SCHEMBL12470848

SCHEMBL12470848

COc1cc(-c2nc3cc(C(F)(F)F)ccc3s2)cc(OC)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.52
NCS1 P62166 1/20 0.50
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 3/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
PPARG P37231 1/20 0.49
NCOA2 Q15596 1/20 0.49
NCOA1 Q15788 1/20 0.49
AGPAT2 O15120 1/20 0.48
ILK Q13418 2/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 2/20 0.46
HCRTR1 O43613 1/20 0.46
TP53 P04637 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12471049 0.89 AHR (0.53) AHRNCS1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12471638 0.88 KDM4E (0.66) AHRNCS1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL15455623 0.86 AHR (0.70) AHRNCS1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12470423 0.85 MAPT (0.66) AHRNCS1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL12470914 0.81 ILK (0.52) NCS1ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL12470870 0.81 KDM4E (0.59) AHRALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL15455776 0.81 ILK (0.49) NCS1ALDH1A1KDM4EMAPTRAB9A
SCHEMBL12470462 0.81 SMN1; SMN2 (0.52) AHRALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL4804958 0.79 MAPT (0.56) ALDH1A1SMN1; SMN2KDM4EMAPTRAB9A
SCHEMBL5831730 0.79 KDM4E (0.75) ALDH1A1SMN1; SMN2KDM4EHPGDMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9155690-B2 Compound having skin-whitening, anti-oxidizing and PPAR activities and medical use thereof PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2015-10-13 US claimed
WO-2012108689-A2 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR 부산대학교 산학협력단 (KR) 2012-08-16 WO claimed
US-20150366776-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREOF PUSAN NAT UNIV IND COOP FOUND (KR) 2015-12-24 US disclosed
US-9155690-B2 Compound having skin-whitening, anti-oxidizing and PPAR activities and medical use thereof PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2015-10-13 US disclosed
US-8889881-B2 Compound having skin-whitening, anti-oxidizing and PPAR activities and medical use therefor Pusan National University Industry —University Cooperation Foundation (KR) 2014-11-18 US disclosed
US-20140037564-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR Pusan National University Indusrtyuniversity (KR) 2014-02-06 US disclosed
WO-2012108689-A2 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR 부산대학교 산학협력단 (KR) 2012-08-16 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150366776-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREOF PPARG, PPARA, TYR AHR 73/4885NCS1 4584/4885ALDH1A1 213/4885
US-20140037564-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR PPARG, PPARA, PPARD AHR 65/4885NCS1 4445/4885ALDH1A1 186/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.